Molecule

ID:74781

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c11-6-8-3-1-2-7-4-5-10-9(7)8/h1-5,10-11H,6H2
InChIKey
UBJBKRMNBMMMHZ-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc2c1[nH]cc2
Isomeric Smiles
[nH]1ccc2cccc(c12)CO
Calculated Properties
JChem
Acid pKa
15.043237
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.304658
LogD (pH = 7.4)
1.304658
Log P
1.304658
Molar Refractivity
43.9604
Polarizability
18.035099
Polar Surface Area
36.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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